3-(difluoromethoxy)-5-methylsulfonylbenzamide

C9H9F2NO4S — CID 175788790

IUPAC3-(difluoromethoxy)-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(OC(F)F)cc(C(N)=O)c1
InChIInChI=1S/C9H9F2NO4S/c1-17(14,15)7-3-5(8(12)13)2-6(4-7)16-9(10)11/h2-4,9H,1H3,(H2,12,13)
InChIKeyLHRYNQIUSZWXNZ-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.79
Rot. Bonds4

About 3-(difluoromethoxy)-5-methylsulfonylbenzamide

3-(difluoromethoxy)-5-methylsulfonylbenzamide (PubChem CID 175788790) has the molecular formula C9H9F2NO4S and a molecular weight of 265.24 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-methylsulfonylbenzamide
PubChem CID175788790
Molecular FormulaC9H9F2NO4S
Molecular Weight265.24 g/mol
Exact Mass265.02
IUPAC Name3-(difluoromethoxy)-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(OC(F)F)cc(C(N)=O)c1
InChIInChI=1S/C9H9F2NO4S/c1-17(14,15)7-3-5(8(12)13)2-6(4-7)16-9(10)11/h2-4,9H,1H3,(H2,12,13)
InChIKeyLHRYNQIUSZWXNZ-UHFFFAOYSA-N
XLogP0.79
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-methylsulfonylbenzamide?
The IUPAC name of 3-(difluoromethoxy)-5-methylsulfonylbenzamide (CID 175788790) is 3-(difluoromethoxy)-5-methylsulfonylbenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-5-methylsulfonylbenzamide?
The canonical SMILES for 3-(difluoromethoxy)-5-methylsulfonylbenzamide is CS(=O)(=O)c1cc(OC(F)F)cc(C(N)=O)c1.
What is the InChIKey of 3-(difluoromethoxy)-5-methylsulfonylbenzamide?
The InChIKey is LHRYNQIUSZWXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4S/c1-17(14,15)7-3-5(8(12)13)2-6(4-7)16-9(10)11/h2-4,9H,1H3,(H2,12,13).
What are the key properties of 3-(difluoromethoxy)-5-methylsulfonylbenzamide?
3-(difluoromethoxy)-5-methylsulfonylbenzamide has a molecular weight of 265.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-methylsulfonylbenzamide is sourced from PubChem (CID 175788790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).